Geometry & MOs

Info

ID:	430164
PubChem CID:	135170227
Reduced:	NOSCl2H15C23 (1)
Stoich.:	ABCD2E15F23 (1)
Weight, g/mol:	435.273321
ΔH_f, kcal/mol:	42.31
Dipole, Da:	5.71
IP(EA), eV:	-8.55(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(2S)-1-(2-methoxyethoxycarbonyl)pyrrolidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C3=C(C4=CC(=C(C=C4C3=O)Cl)Cl)NC5=CC=CC=C5S2

DOS

IR

Vibrations